基本情報
- CAS
646-30-0- 標準SMILES
CCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
ISYWECDDZWTKFF-UHFFFAOYSA-N- 分子式
- C19H38O2
- 平均分子量
- 298.5 g/mol
- 単同位体質量
- 298.28718045
概要
Nonadecanoic acid is a C19 straight-chain fatty acid of plant or bacterial origin. An intermediate in the biodegradation of n-icosane, it has been shown to inhibit cancer growth. It has a role as a fungal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a nonadecanoate.
名称と識別子
- 優先名称
- Nonadecanoic Acid
- IUPAC
- nonadecanoic acid
- 英語名
- Nonadecanoic acid
- 分子式
- C19H38O2
- 分子量
- 0
名称と別名
NONADECANOIC ACID646-30-0n-Nonadecanoic acidNonadecylic acidH6M3VYC62PC19:0NSC-11914DTXSID3060954CHEBI:39246RefChem:927881DTXCID2044345211-472-4
名称をさらに表示
MFCD00002754n-Nonadecylic acidUNII-H6M3VYC62PNSC 11914FA 19:0NonadecanoicAI3-36442NSC11914
データベース識別子
- CAS
646-30-0、68002-88-0- PubChem CID
- 12591
- DTXSID
DTXSID3060954- ChEMBL
CHEMBL1169674- ChEBI
CHEBI:39246- UNII
- H6M3VYC62P
- EC Number
- 211-472-4
- Nikkaji
- J535E
物性
構造計算による物性
- XLogP
- 8
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 17
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 214
実験および物理化学的性質
Chemical ClassesOther Classes -> Organic Acids
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Boiling Point300.00 °C. @ 760.00 mm Hg
Melting Point69.4 °C
Physical Description
White flakes; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
181.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Fruit fly; Dataset: Unambiguous Lipids]
196.5 Ų [M+H]+
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationNonadecanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
化学と産業
薬理情報
Tissue LocationsPlacenta
Cellular LocationsExtracellular
用途と製造
General Manufacturing InformationNonadecanoic acid: ACTIVE
サプライヤー100 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
宜昌众意泰贸易有限公司
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